2YGX
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![BU of 2ygx by Molmil](/molmil-images/mine/2ygx) | Structure of the mixed-function P450 MycG in P21 space group | Descriptor: | GLYCEROL, P-450-LIKE PROTEIN, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Li, S, Kells, P.M, Rutaganira, F.U, Sherman, D.H, Podust, L.M. | Deposit date: | 2011-04-22 | Release date: | 2012-02-29 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.39 Å) | Cite: | Substrate Recognition by the Multifunctional Cytochrome P450 Mycg in Mycinamicin Hydroxylation and Epoxidation Reactions. J.Biol.Chem., 287, 2012
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2YCA
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![BU of 2yca by Molmil](/molmil-images/mine/2yca) | Mixed-function P450 MycG in complex with mycinamicin III in P21212 space group | Descriptor: | GLYCEROL, MYCINAMICIN III, P-450-LIKE PROTEIN, ... | Authors: | Li, S, Kells, P.M, Sherman, D.H, Podust, L.M. | Deposit date: | 2011-03-12 | Release date: | 2012-03-28 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Substrate Recognition by the Multifunctional Cytochrome P450 Mycg in Mycinamicin Hydroxylation and Epoxidation Reactions. J.Biol.Chem., 287, 2012
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2Y98
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![BU of 2y98 by Molmil](/molmil-images/mine/2y98) | Structure of the mixed-function P450 MycG in complex with mycinamicin IV in P21212 space group | Descriptor: | CHLORIDE ION, GLYCEROL, MYCINAMICIN IV, ... | Authors: | Li, S, Kells, P.M, Sherman, D.H, Podust, L.M. | Deposit date: | 2011-02-12 | Release date: | 2012-02-22 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Substrate Recognition by the Multifunctional Cytochrome P450 Mycg in Mycinamicin Hydroxylation and Epoxidation Reactions. J.Biol.Chem., 287, 2012
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6AYC
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![BU of 6ayc by Molmil](/molmil-images/mine/6ayc) | Naegleria fowleri CYP51-itraconazole complex | Descriptor: | 2-[(2R)-butan-2-yl]-4-{4-[4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazin-1-yl]phenyl}-2,4-dihydro-3H-1,2,4-triazol-3-one, PROTOPORPHYRIN IX CONTAINING FE, Protein CYP51 | Authors: | Debnath, A, Calvet, C.M, Jennings, G, Zhou, W, Aksenov, A, Luth, M, Abagyan, R, Nes, W.D, McKerrow, J.H, Podust, L.M. | Deposit date: | 2017-09-08 | Release date: | 2017-11-22 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | CYP51 is an essential drug target for the treatment of primary amoebic meningoencephalitis (PAM). PLoS Negl Trop Dis, 11, 2017
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6AY4
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![BU of 6ay4 by Molmil](/molmil-images/mine/6ay4) | Naegleria fowleri CYP51-fluconazole complex | Descriptor: | 1,2-ETHANEDIOL, 2-(2,4-DIFLUOROPHENYL)-1,3-DI(1H-1,2,4-TRIAZOL-1-YL)PROPAN-2-OL, CYP51, ... | Authors: | Debnath, A, Calvet, C.M, Jennings, G, Zhou, W, Aksenov, A, Luth, M, Abagyan, R, Nes, W.D, McKerrow, J.H, Podust, L.M. | Deposit date: | 2017-09-07 | Release date: | 2017-11-22 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | CYP51 is an essential drug target for the treatment of primary amoebic meningoencephalitis (PAM). PLoS Negl Trop Dis, 11, 2017
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6B11
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![BU of 6b11 by Molmil](/molmil-images/mine/6b11) | TylHI in complex with native substrate 23-deoxy-5-O-mycaminosyl-tylonolide (23-DMTL) | Descriptor: | (4R,5S,6S,7R,9R,11E,13E,15S,16R)-16-ethyl-4-hydroxy-5,9,13,15-tetramethyl-2,10-dioxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-6-yl 3,6-dideoxy-3-(dimethylamino)-beta-D-glucopyranoside, 1,2-ETHANEDIOL, 20-oxo-5-O-mycaminosyltylactone 23-monooxygenase, ... | Authors: | DeMars, M.D, Sherman, D.H, Podust, L.M. | Deposit date: | 2017-09-15 | Release date: | 2018-12-19 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | TylHI in complex with native substrate 23-deoxy-5-O-mycaminosyl-tylonolide (23-DMTL) To Be Published
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6AY6
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![BU of 6ay6 by Molmil](/molmil-images/mine/6ay6) | Naegleria fowleri CYP51-voriconazole complex | Descriptor: | CYP51, sterol 14alpha-demethylase, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Debnath, A, Calvet, C.M, Jennings, G, Zhou, W, Aksenov, A, Luth, M, Abagyan, R, Nes, W.D, McKerrow, J.H, Podust, L.M. | Deposit date: | 2017-09-07 | Release date: | 2017-11-22 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | CYP51 is an essential drug target for the treatment of primary amoebic meningoencephalitis (PAM). PLoS Negl Trop Dis, 11, 2017
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6AYB
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![BU of 6ayb by Molmil](/molmil-images/mine/6ayb) | Naegleria fowleri CYP51-ketoconazole complex | Descriptor: | 1,2-ETHANEDIOL, 1-acetyl-4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine, CALCIUM ION, ... | Authors: | Debnath, A, Calvet, C.M, Jennings, G, Zhou, W, Aksenov, A, Luth, M, Abagyan, R, Nes, W.D, McKerrow, J.H, Podust, L.M. | Deposit date: | 2017-09-08 | Release date: | 2017-11-22 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | CYP51 is an essential drug target for the treatment of primary amoebic meningoencephalitis (PAM). PLoS Negl Trop Dis, 11, 2017
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3ZBY
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![BU of 3zby by Molmil](/molmil-images/mine/3zby) | Ligand-free structure of CYP142 from Mycobacterium smegmatis | Descriptor: | 1,2-ETHANEDIOL, Cycloheptakis-(1-4)-(alpha-D-glucopyranose), P450 HEME-THIOLATE PROTEIN, ... | Authors: | Garcia-Fernandez, E, Frank, D.J, Galan, B, Kells, P.M, Podust, L.M, Garcia, J.L, Ortiz de Montellano, P.R. | Deposit date: | 2012-11-13 | Release date: | 2013-02-27 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | A Highly Conserved Mycobacterial Cholesterol Catabolic Pathway. Environ.Microbiol., 15, 2013
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4APY
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![BU of 4apy by Molmil](/molmil-images/mine/4apy) | Ethylene glycol-bound form of P450 CYP125A3 from Mycobacterium smegmatis | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, P450 HEME-THIOLATE PROTEIN, ... | Authors: | Frank, D.J, Garcia Fernandez, E, Kells, P.M, Garcia Lopez, J.L, Podust, L.M, Ortiz de Montellano, P.R. | Deposit date: | 2012-04-09 | Release date: | 2013-02-27 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A Highly Conserved Mycobacterial Cholesterol Catabolic Pathway. Environ.Microbiol., 15, 2013
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3ZSN
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![BU of 3zsn by Molmil](/molmil-images/mine/3zsn) | Structure of the mixed-function P450 MycG F286A mutant in complex with mycinamicin IV | Descriptor: | BENZAMIDINE, GLYCEROL, MYCINAMICIN IV, ... | Authors: | Li, S, Kells, P.M, Rutaganira, F.U, Anzai, Y, Kato, F, Sherman, D.H, Podust, L.M. | Deposit date: | 2011-06-29 | Release date: | 2012-05-09 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Substrate Recognition by the Multifunctional Cytochrome P450 Mycg in Mycinamicin Hydroxylation and Epoxidation Reactions. J.Biol.Chem., 287, 2012
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4AW3
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![BU of 4aw3 by Molmil](/molmil-images/mine/4aw3) | Structure of the mixed-function P450 MycG F286V mutant in complex with mycinamicin V in P1 space group | Descriptor: | GLYCEROL, MYCINAMICIN V, P-450-LIKE PROTEIN, ... | Authors: | Li, S, Tietz, D.R, Rutaganira, F.U, Kells, P.M, Anzai, Y, Kato, F, Pochapsky, T.C, Sherman, D.H, Podust, L.M. | Deposit date: | 2012-05-30 | Release date: | 2012-09-05 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Substrate Recognition by the Multifunctional Cytochrome P450 Mycg in Mycinamicin Hydroxylation and Epoxidation Reactions. J.Biol.Chem., 287, 2012
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4C27
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![BU of 4c27 by Molmil](/molmil-images/mine/4c27) | Crystal structure of Trypanosoma cruzi CYP51 bound to the inhibitor (R)-N-(3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl)-2-fluoro-4-(4-(4-(trifluoromethyl)phenyl)piperazin-1-yl)benzamide | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Nalpha-(2-fluoro-4-{4-[4-(trifluoromethyl)phenyl]piperazin-1-yl}benzoyl)-N-pyridin-4-yl-D-tryptophanamide, ... | Authors: | Vieira, D.F, Calvet, C.M, Choi, J.Y, Cameron, M.D, Gut, J, Kellar, D, Siqueira-Neto, J.L, McKerrow, J.H, Roush, W.R, Podust, L.M. | Deposit date: | 2013-08-16 | Release date: | 2014-09-03 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Binding Mode and Potency of N-Indolyl-Oxopyridinyl-4-Amino-Propanyl-Based Inhibitors Targeting Trypanosoma Cruzi Cyp51 J.Med.Chem., 57, 2014
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4C28
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![BU of 4c28 by Molmil](/molmil-images/mine/4c28) | Crystal structure of Trypanosoma cruzi CYP51 bound to the inhibitor (R)-N-(3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl)-4-(4-(4-chlorophenyl)piperazin-1-yl)-2-fluorobenzamide. | Descriptor: | (R)-N-(3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl)-4-(4-(4-chlorophenyl)piperazin-1-yl)-2-fluorobenzamide, 1,2-ETHANEDIOL, CHLORIDE ION, ... | Authors: | Vieira, D.F, Calvet, C.M, Choi, J.Y, Cameron, M.D, Gut, J, Kellar, D, Siqueira-Neto, J.L, McKerrow, J.H, Roush, W.R, Podust, L.M. | Deposit date: | 2013-08-16 | Release date: | 2014-09-03 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Binding Mode and Potency of N-Indolyl-Oxopyridinyl-4-Amino-Propanyl-Based Inhibitors Targeting Trypanosoma Cruzi Cyp51 J.Med.Chem., 57, 2014
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2BPO
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![BU of 2bpo by Molmil](/molmil-images/mine/2bpo) | Crystal structure of the yeast CPR triple mutant: D74G, Y75F, K78A. | Descriptor: | FLAVIN MONONUCLEOTIDE, FLAVIN-ADENINE DINUCLEOTIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Yermalitskaya, L.V, Kim, Y, Waterman, M.R, Podust, L.M. | Deposit date: | 2005-04-21 | Release date: | 2006-07-13 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Crystal Structure of the Yeast Cpr Triple Mutant: D74G, Y75F, K78A. To be Published
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2CD8
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![BU of 2cd8 by Molmil](/molmil-images/mine/2cd8) | Crystal structure of YC-17-bound cytochrome P450 PikC (CYP107L1) | Descriptor: | 4-{[4-(DIMETHYLAMINO)-3-HYDROXY-6-METHYLTETRAHYDRO-2H-PYRAN-2-YL]OXY}-12-ETHYL-3,5,7,11-TETRAMETHYLOXACYCLODODEC-9-ENE-2,8-DIONE, CYTOCHROME P450 MONOOXYGENASE, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Yermalitskaya, L.I, Kim, Y, Sherman, D.H, Waterman, M.R, Podust, L.M. | Deposit date: | 2006-01-20 | Release date: | 2007-02-20 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The Structural Basis for Substrate Anchoring, Active Site Selectivity, and Product Formation by P450 Pikc from Streptomyces Venezuelae. J.Biol.Chem., 281, 2006
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2BVJ
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![BU of 2bvj by Molmil](/molmil-images/mine/2bvj) | Ligand-free structure of cytochrome P450 PikC (CYP107L1) | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, BETA-MERCAPTOETHANOL, CYTOCHROME P450 MONOOXYGENASE, ... | Authors: | Sherman, D.H, Li, S, Yermalitskaya, L.V, Kim, Y, Smith, J.A, Waterman, M.R, Podust, L.M. | Deposit date: | 2005-06-28 | Release date: | 2006-07-03 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The Structural Basis for Substrate Anchoring, Active Site Selectivity, and Product Formation by P450 Pikc from Streptomyces Venezuelae. J.Biol.Chem., 281, 2006
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2C7X
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![BU of 2c7x by Molmil](/molmil-images/mine/2c7x) | Crystal structure of narbomycin-bound cytochrome P450 PikC (CYP107L1) | Descriptor: | CYTOCHROME P450 MONOOXYGENASE, NARBOMYCIN, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Sherman, D.H, Li, S, Yermalitskaya, L.V, Kim, Y, Smith, J.A, Waterman, M.R, Podust, L.M. | Deposit date: | 2005-11-29 | Release date: | 2006-07-03 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | The Structural Basis for Substrate Anchoring, Active Site Selectivity, and Product Formation by P450 Pikc from Streptomyces Venezuelae. J.Biol.Chem., 281, 2006
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2CA0
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![BU of 2ca0 by Molmil](/molmil-images/mine/2ca0) | Crystal structure of YC-17-bound cytochrome P450 PikC (CYP107L1) | Descriptor: | 4-{[4-(DIMETHYLAMINO)-3-HYDROXY-6-METHYLTETRAHYDRO-2H-PYRAN-2-YL]OXY}-12-ETHYL-3,5,7,11-TETRAMETHYLOXACYCLODODEC-9-ENE-2,8-DIONE, CYTOCHROME P450 MONOOXYGENASE, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Yermalitskaya, L.I, Kim, Y, Sherman, D.H, Waterman, M.R, Podust, L.M. | Deposit date: | 2005-12-15 | Release date: | 2006-12-13 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Crystal Structure of Yc-17-Bound Cytochrome P450 Pikc (Cyp107L1) To be Published
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2C6H
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![BU of 2c6h by Molmil](/molmil-images/mine/2c6h) | Crystal structure of YC-17-bound cytochrome P450 PikC (CYP107L1) | Descriptor: | 4-{[4-(DIMETHYLAMINO)-3-HYDROXY-6-METHYLTETRAHYDRO-2H-PYRAN-2-YL]OXY}-12-ETHYL-3,5,7,11-TETRAMETHYLOXACYCLODODEC-9-ENE-2,8-DIONE, CYTOCHROME P450 MONOOXYGENASE, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Sherman, D.H, Li, S, Yermalitskaya, L.V, Kim, Y, Smith, J.A, Waterman, M.R, Podust, L.M. | Deposit date: | 2005-11-09 | Release date: | 2006-07-03 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | The Structural Basis for Substrate Anchoring, Active Site Selectivity, and Product Formation by P450 Pikc from Streptomyces Venezuelae. J.Biol.Chem., 281, 2006
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1SE6
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![BU of 1se6 by Molmil](/molmil-images/mine/1se6) | Crystal Structure of Streptomyces Coelicolor A3(2) CYP158A2 from antibiotic biosynthetic pathways | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, PROTOPORPHYRIN IX CONTAINING FE, SPERMINE (FULLY PROTONATED FORM), ... | Authors: | Zhao, B, Lamb, D.C, Lei, L, Sundaramoorthy, M, Podust, L.M, Waterman, M.R. | Deposit date: | 2004-02-16 | Release date: | 2005-01-25 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Binding of Two Flaviolin Substrate Molecules, Oxidative Coupling, and Crystal Structure of Streptomyces coelicolor A3(2) Cytochrome P450 158A2. J.Biol.Chem., 280, 2005
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1S1F
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![BU of 1s1f by Molmil](/molmil-images/mine/1s1f) | Crystal Structure of Streptomyces Coelicolor A3(2) CYP158A2 from antibiotic biosynthetic pathways | Descriptor: | 4-PHENYL-1H-IMIDAZOLE, GLYCEROL, MALONIC ACID, ... | Authors: | Zhao, B, Lamb, D.C, Lei, L, Sundaramoorthy, M, Podust, L.M, Waterman, M.R. | Deposit date: | 2004-01-06 | Release date: | 2005-01-11 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Binding of Two Flaviolin Substrate Molecules, Oxidative Coupling, and Crystal Structure of Streptomyces coelicolor A3(2) Cytochrome P450 158A2 J.Biol.Chem., 280, 2005
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6UW2
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![BU of 6uw2 by Molmil](/molmil-images/mine/6uw2) | Clotrimazole bound complex of Acanthamoeba castellanii CYP51 | Descriptor: | 1-[(2-CHLOROPHENYL)(DIPHENYL)METHYL]-1H-IMIDAZOLE, GUANIDINE, Obtusifoliol 14alphademethylase, ... | Authors: | Sharma, V, Podust, L.M. | Deposit date: | 2019-11-04 | Release date: | 2020-10-21 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.92 Å) | Cite: | Domain-Swap Dimerization of Acanthamoeba castellanii CYP51 and a Unique Mechanism of Inactivation by Isavuconazole. Mol.Pharmacol., 98, 2020
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6UX0
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![BU of 6ux0 by Molmil](/molmil-images/mine/6ux0) | Isavuconazole bound complex of Acanthamoeba castellanii CYP51 | Descriptor: | 4-{2-[(2R,3R)-3-(2,5-difluorophenyl)-3-hydroxy-4-(1H-1,2,4-triazol-1-yl)butan-2-yl]-1,3-thiazol-4-yl}benzonitrile, FE (III) ION, Obtusifoliol 14alphademethylase, ... | Authors: | Sharma, V, Podust, L.M. | Deposit date: | 2019-11-06 | Release date: | 2020-10-21 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.93 Å) | Cite: | Domain-Swap Dimerization of Acanthamoeba castellanii CYP51 and a Unique Mechanism of Inactivation by Isavuconazole. Mol.Pharmacol., 98, 2020
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7JUJ
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![BU of 7juj by Molmil](/molmil-images/mine/7juj) | Cruzain bound to Gallinamide inhibitor | Descriptor: | Cruzipain, POTASSIUM ION, gallinamide A, ... | Authors: | Silva, E.B, Sharma, V, Alvarez, L.H, Gerwick, W.H, McKerrow, J.H, Podust, L.M. | Deposit date: | 2020-08-19 | Release date: | 2021-08-25 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Intramolecular Interactions Enhance the Potency of Gallinamide A Analogues against Trypanosoma cruzi . J.Med.Chem., 65, 2022
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